SCHEMBL4888552

SCHEMBL4888552

CC(C)(C)OC(=O)NCC(Cc1nc(-c2ccc(S(N)(=O)=O)cc2)no1)c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.39
CA1 P00915 12/20 0.39
CA9 Q16790 11/20 0.39
CA12 O43570 9/20 0.39
CA14 Q9ULX7 1/20 0.39
S1PR1 P21453 4/20 0.39
TP53 P04637 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4888769 0.93 S1PR1 (0.38) S1PR1TP53
SCHEMBL4890499 0.90 ALDH1A1 (0.45) S1PR1
SCHEMBL4880805 0.83 MAPT (0.42) TP53
SCHEMBL4888547 0.82 CTSS (0.42) CA2CA1CA9CA12CA14
SCHEMBL4886294 0.81 NPC1 (0.45) TP53
SCHEMBL4888764 0.74 CTSS (0.43) TP53
SCHEMBL4884701 0.74 SMN1; SMN2 (0.41) CA2CA1CA9CA12TP53
SCHEMBL4891054 0.71 CA9 (0.49) CA2CA1CA9CA12S1PR1
SCHEMBL4891052 0.71 CA9 (0.51) CA2CA1CA9CA12S1PR1
SCHEMBL4890495 0.70 CTSS (0.52) S1PR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064728-A1 Heterocyclic Compounds Useful as Dpp-Iv Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-03-13 US disclosed
EP-1623983-A1 Heterocyclic compounds useful as DPP-IV inhibitors Santhera Pharmaceuticals (Deutschland) Aktiengesellschaft (DE) 2006-02-08 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080064728-A1 Heterocyclic Compounds Useful as Dpp-Iv Inhibitors DPP4, DPP7, DPP3 CA2 513/4885CA1 2389/4885CA9 429/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.